Digregorio Pasquale, Caporusso Claudio Basilio, Carenza Lucio Mauro, Gonnella Giuseppe, Moretti Daniela, Negro Giuseppe, Semeraro Massimiliano, Suma Antonio
Dipartimento Interateneo di Fisica, Università Degli Studi di Bari and INFN, Sezione di Bari, Via Amendola 173, 70126 Bari, Italy.
SUPA, School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3FD, UK.
Entropy (Basel). 2025 Jun 27;27(7):692. doi: 10.3390/e27070692.
We investigate a two-dimensional system of active Brownian dumbbells using molecular dynamics simulations. In this model, each dumbbell is driven by an active force oriented perpendicular to the axis connecting its two constituent beads. We characterize the resulting phase behavior and find that, across all values of activity, the system undergoes phase separation between dilute and dense phases. The dense phase exhibits hexatic order, and for large enough activity, we observe a marked increase in local polarization, with dumbbells predominantly oriented towards the interior of the clusters. Compared to the case of axially self-propelled dumbbells, we find that the binodal region is enlarged towards lower densities at all activities. This shift arises because dumbbells with transverse propulsion can more easily form stable cluster cores, serving as nucleation seeds, and show a highly suppressed escaping rate from the cluster boundary. Finally, we observe that clusters exhibit spontaneous rotation, with the modulus of the angular velocity scaling as ω∼rg-2, where rg is the cluster's radius of gyration. This contrasts with axially propelled dumbbells, where the scaling follows ω∼rg-1. We develop a simplified analytical model to rationalize this scaling behavior.
我们使用分子动力学模拟研究了一个二维活性布朗哑铃系统。在这个模型中,每个哑铃由一个垂直于连接其两个组成珠子的轴的活性力驱动。我们表征了由此产生的相行为,发现对于所有活性值,系统都会在稀相和密相之间发生相分离。密相呈现六方有序,并且对于足够大的活性,我们观察到局部极化显著增加,哑铃主要朝向簇的内部定向。与轴向自推进哑铃的情况相比,我们发现在所有活性下,双节线区域都向更低密度扩展。这种偏移的出现是因为具有横向推进的哑铃可以更容易地形成稳定的簇核心,作为成核种子,并且从簇边界的逃逸率受到高度抑制。最后,我们观察到簇表现出自发旋转,角速度的模量按ω∼rg - 2缩放,其中rg是簇的回转半径。这与轴向推进的哑铃形成对比,轴向推进的哑铃的缩放遵循ω∼rg - 1。我们开发了一个简化的分析模型来解释这种缩放行为。